USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 ASN : amide:sc= -1.04 K(o=-0.61,f=-3.1) USER MOD Set 1.2: A 14 LYS NZ :NH3+ -142:sc= 0.33 (180deg=0) USER MOD Set 1.3: A 56 THR OG1 : rot 180:sc= 0.106 USER MOD Set 2.1: A 17 THR OG1 : rot -122:sc= 0.615 USER MOD Set 2.2: A 34 TYR OH : rot 180:sc= -0.0734 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= 0.292 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= 1.27 (180deg=1.24) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 99:sc= 0.889 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 38 ASN : amide:sc= -0.708 K(o=-0.71,f=-1.5!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 82:sc= 1.28 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.824 1.086 -1.102 1.00 0.00 N ATOM 2 CA MET A 1 -15.171 1.806 0.006 1.00 0.00 C ATOM 3 C MET A 1 -14.826 0.812 1.094 1.00 0.00 C ATOM 4 O MET A 1 -15.698 0.036 1.487 1.00 0.00 O ATOM 5 CB MET A 1 -16.047 2.946 0.541 1.00 0.00 C ATOM 6 CG MET A 1 -15.371 3.696 1.699 1.00 0.00 C ATOM 7 SD MET A 1 -15.904 5.413 1.898 1.00 0.00 S ATOM 8 CE MET A 1 -14.848 5.913 3.282 1.00 0.00 C ATOM 0 H1 MET A 1 -15.399 1.379 -2.005 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.695 0.062 -0.975 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.840 1.308 -1.109 1.00 0.00 H new ATOM 0 HA MET A 1 -14.257 2.273 -0.361 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.265 3.646 -0.266 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.001 2.542 0.879 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.568 3.159 2.627 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.292 3.680 1.544 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.049 6.954 3.536 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.057 5.282 4.146 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.801 5.805 2.998 1.00 0.00 H new ATOM 18 N GLY A 2 -13.575 0.806 1.552 1.00 0.00 N ATOM 19 CA GLY A 2 -13.109 -0.087 2.597 1.00 0.00 C ATOM 20 C GLY A 2 -11.837 0.447 3.240 1.00 0.00 C ATOM 21 O GLY A 2 -11.222 1.406 2.757 1.00 0.00 O ATOM 0 H GLY A 2 -12.851 1.432 1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.884 -0.202 3.355 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -12.922 -1.076 2.179 1.00 0.00 H new ATOM 25 N THR A 3 -11.453 -0.190 4.340 1.00 0.00 N ATOM 26 CA THR A 3 -10.286 0.105 5.143 1.00 0.00 C ATOM 27 C THR A 3 -9.196 -0.852 4.660 1.00 0.00 C ATOM 28 O THR A 3 -9.308 -2.060 4.862 1.00 0.00 O ATOM 29 CB THR A 3 -10.692 -0.016 6.626 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.848 0.780 6.853 1.00 0.00 O ATOM 31 CG2 THR A 3 -9.602 0.489 7.568 1.00 0.00 C ATOM 0 H THR A 3 -11.987 -0.975 4.713 1.00 0.00 H new ATOM 0 HA THR A 3 -9.889 1.115 5.042 1.00 0.00 H new ATOM 0 HB THR A 3 -10.871 -1.072 6.827 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.115 0.708 7.793 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.935 0.383 8.600 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.693 -0.094 7.418 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.398 1.539 7.359 1.00 0.00 H new ATOM 39 N TYR A 4 -8.129 -0.332 4.041 1.00 0.00 N ATOM 40 CA TYR A 4 -7.052 -1.160 3.506 1.00 0.00 C ATOM 41 C TYR A 4 -5.893 -1.313 4.497 1.00 0.00 C ATOM 42 O TYR A 4 -5.785 -0.579 5.492 1.00 0.00 O ATOM 43 CB TYR A 4 -6.539 -0.531 2.194 1.00 0.00 C ATOM 44 CG TYR A 4 -7.499 -0.592 1.016 1.00 0.00 C ATOM 45 CD1 TYR A 4 -7.492 -1.719 0.173 1.00 0.00 C ATOM 46 CD2 TYR A 4 -8.389 0.468 0.747 1.00 0.00 C ATOM 47 CE1 TYR A 4 -8.362 -1.795 -0.928 1.00 0.00 C ATOM 48 CE2 TYR A 4 -9.267 0.398 -0.353 1.00 0.00 C ATOM 49 CZ TYR A 4 -9.257 -0.737 -1.197 1.00 0.00 C ATOM 50 OH TYR A 4 -10.130 -0.827 -2.236 1.00 0.00 O ATOM 0 H TYR A 4 -7.992 0.669 3.900 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.452 -2.157 3.321 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.293 0.513 2.385 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.612 -1.030 1.911 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.812 -2.533 0.374 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -8.398 1.338 1.387 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.346 -2.664 -1.569 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.948 1.212 -0.552 1.00 0.00 H new ATOM 0 HH TYR A 4 -10.673 -0.012 -2.278 1.00 0.00 H new ATOM 60 N LYS A 5 -5.021 -2.283 4.211 1.00 0.00 N ATOM 61 CA LYS A 5 -3.820 -2.644 4.959 1.00 0.00 C ATOM 62 C LYS A 5 -2.660 -2.542 3.984 1.00 0.00 C ATOM 63 O LYS A 5 -2.571 -3.350 3.058 1.00 0.00 O ATOM 64 CB LYS A 5 -3.897 -4.075 5.515 1.00 0.00 C ATOM 65 CG LYS A 5 -4.914 -4.285 6.637 1.00 0.00 C ATOM 66 CD LYS A 5 -4.985 -5.775 6.982 1.00 0.00 C ATOM 67 CE LYS A 5 -5.983 -6.007 8.119 1.00 0.00 C ATOM 68 NZ LYS A 5 -6.643 -7.320 7.987 1.00 0.00 N ATOM 0 H LYS A 5 -5.147 -2.877 3.392 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.703 -1.979 5.814 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.138 -4.753 4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.911 -4.358 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.626 -3.709 7.517 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.895 -3.924 6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.285 -6.345 6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.999 -6.135 7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.467 -5.951 9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.734 -5.217 8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.314 -7.451 8.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.154 -7.362 7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.926 -8.073 8.015 1.00 0.00 H new ATOM 82 N LEU A 6 -1.825 -1.523 4.146 1.00 0.00 N ATOM 83 CA LEU A 6 -0.662 -1.281 3.313 1.00 0.00 C ATOM 84 C LEU A 6 0.480 -2.134 3.852 1.00 0.00 C ATOM 85 O LEU A 6 0.856 -1.955 5.009 1.00 0.00 O ATOM 86 CB LEU A 6 -0.304 0.217 3.395 1.00 0.00 C ATOM 87 CG LEU A 6 0.764 0.750 2.421 1.00 0.00 C ATOM 88 CD1 LEU A 6 2.114 0.039 2.474 1.00 0.00 C ATOM 89 CD2 LEU A 6 0.267 0.685 0.982 1.00 0.00 C ATOM 0 H LEU A 6 -1.945 -0.826 4.881 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.853 -1.541 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.218 0.790 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.033 0.427 4.410 1.00 0.00 H new ATOM 0 HG LEU A 6 0.926 1.775 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.792 0.491 1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.536 0.133 3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.979 -1.016 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.038 1.067 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.040 -0.349 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.633 1.291 0.880 1.00 0.00 H new ATOM 101 N ILE A 7 0.997 -3.078 3.064 1.00 0.00 N ATOM 102 CA ILE A 7 2.122 -3.928 3.445 1.00 0.00 C ATOM 103 C ILE A 7 3.252 -3.425 2.547 1.00 0.00 C ATOM 104 O ILE A 7 3.274 -3.698 1.344 1.00 0.00 O ATOM 105 CB ILE A 7 1.837 -5.444 3.308 1.00 0.00 C ATOM 106 CG1 ILE A 7 0.876 -5.993 4.388 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.145 -6.247 3.473 1.00 0.00 C ATOM 108 CD1 ILE A 7 -0.581 -5.549 4.260 1.00 0.00 C ATOM 0 H ILE A 7 0.639 -3.275 2.129 1.00 0.00 H new ATOM 0 HA ILE A 7 2.365 -3.851 4.505 1.00 0.00 H new ATOM 0 HB ILE A 7 1.385 -5.558 2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.909 -7.082 4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.246 -5.688 5.367 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.933 -7.312 3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.856 -5.946 2.704 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.571 -6.051 4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.168 -5.990 5.066 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.637 -4.462 4.323 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.979 -5.878 3.300 1.00 0.00 H new ATOM 120 N LEU A 8 4.104 -2.564 3.098 1.00 0.00 N ATOM 121 CA LEU A 8 5.236 -2.002 2.384 1.00 0.00 C ATOM 122 C LEU A 8 6.303 -3.094 2.458 1.00 0.00 C ATOM 123 O LEU A 8 6.795 -3.385 3.549 1.00 0.00 O ATOM 124 CB LEU A 8 5.656 -0.684 3.064 1.00 0.00 C ATOM 125 CG LEU A 8 6.469 0.231 2.143 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.574 0.928 1.107 1.00 0.00 C ATOM 127 CD2 LEU A 8 7.185 1.294 2.985 1.00 0.00 C ATOM 0 H LEU A 8 4.023 -2.237 4.061 1.00 0.00 H new ATOM 0 HA LEU A 8 5.034 -1.741 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.764 -0.154 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.244 -0.911 3.953 1.00 0.00 H new ATOM 0 HG LEU A 8 7.193 -0.385 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.185 1.569 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.075 0.178 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.826 1.533 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.764 1.946 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.448 1.886 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.853 0.806 3.695 1.00 0.00 H new ATOM 139 N ASN A 9 6.652 -3.696 1.323 1.00 0.00 N ATOM 140 CA ASN A 9 7.621 -4.778 1.217 1.00 0.00 C ATOM 141 C ASN A 9 8.764 -4.344 0.302 1.00 0.00 C ATOM 142 O ASN A 9 8.768 -4.627 -0.896 1.00 0.00 O ATOM 143 CB ASN A 9 6.878 -6.034 0.735 1.00 0.00 C ATOM 144 CG ASN A 9 7.829 -7.185 0.479 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.773 -7.397 1.236 1.00 0.00 O ATOM 146 ND2 ASN A 9 7.577 -7.976 -0.547 1.00 0.00 N ATOM 0 H ASN A 9 6.252 -3.433 0.422 1.00 0.00 H new ATOM 0 HA ASN A 9 8.078 -5.018 2.177 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.141 -6.330 1.482 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.330 -5.804 -0.179 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.172 -8.785 -0.726 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.787 -7.779 -1.161 1.00 0.00 H new ATOM 153 N GLY A 10 9.693 -3.573 0.865 1.00 0.00 N ATOM 154 CA GLY A 10 10.842 -3.056 0.147 1.00 0.00 C ATOM 155 C GLY A 10 11.990 -4.052 0.067 1.00 0.00 C ATOM 156 O GLY A 10 11.941 -5.147 0.629 1.00 0.00 O ATOM 0 H GLY A 10 9.663 -3.290 1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.538 -2.778 -0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.191 -2.147 0.637 1.00 0.00 H new ATOM 160 N LYS A 11 13.046 -3.632 -0.633 1.00 0.00 N ATOM 161 CA LYS A 11 14.266 -4.409 -0.851 1.00 0.00 C ATOM 162 C LYS A 11 15.281 -4.247 0.279 1.00 0.00 C ATOM 163 O LYS A 11 16.270 -4.983 0.306 1.00 0.00 O ATOM 164 CB LYS A 11 14.884 -4.006 -2.203 1.00 0.00 C ATOM 165 CG LYS A 11 15.559 -2.619 -2.188 1.00 0.00 C ATOM 166 CD LYS A 11 15.482 -1.940 -3.556 1.00 0.00 C ATOM 167 CE LYS A 11 16.049 -0.518 -3.503 1.00 0.00 C ATOM 168 NZ LYS A 11 15.675 0.269 -4.698 1.00 0.00 N ATOM 0 H LYS A 11 13.076 -2.714 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 11 13.994 -5.464 -0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.620 -4.755 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.105 -4.013 -2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.078 -1.988 -1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.603 -2.725 -1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.036 -2.528 -4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.445 -1.908 -3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.684 -0.015 -2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.135 -0.563 -3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.689 1.282 -4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.353 0.081 -5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.720 -0.002 -5.007 1.00 0.00 H new ATOM 182 N THR A 12 15.062 -3.304 1.197 1.00 0.00 N ATOM 183 CA THR A 12 15.968 -3.042 2.313 1.00 0.00 C ATOM 184 C THR A 12 15.226 -2.821 3.637 1.00 0.00 C ATOM 185 O THR A 12 15.847 -2.907 4.701 1.00 0.00 O ATOM 186 CB THR A 12 16.835 -1.800 1.989 1.00 0.00 C ATOM 187 OG1 THR A 12 17.052 -1.597 0.606 1.00 0.00 O ATOM 188 CG2 THR A 12 18.215 -1.869 2.649 1.00 0.00 C ATOM 0 H THR A 12 14.243 -2.696 1.185 1.00 0.00 H new ATOM 0 HA THR A 12 16.595 -3.925 2.439 1.00 0.00 H new ATOM 0 HB THR A 12 16.251 -0.970 2.387 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.604 -0.798 0.475 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.786 -0.977 2.393 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.098 -1.927 3.731 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.745 -2.753 2.294 1.00 0.00 H new ATOM 196 N LEU A 13 13.950 -2.430 3.594 1.00 0.00 N ATOM 197 CA LEU A 13 13.108 -2.168 4.755 1.00 0.00 C ATOM 198 C LEU A 13 11.659 -2.527 4.444 1.00 0.00 C ATOM 199 O LEU A 13 11.303 -2.742 3.283 1.00 0.00 O ATOM 200 CB LEU A 13 13.259 -0.700 5.218 1.00 0.00 C ATOM 201 CG LEU A 13 12.658 0.439 4.356 1.00 0.00 C ATOM 202 CD1 LEU A 13 13.112 0.432 2.891 1.00 0.00 C ATOM 203 CD2 LEU A 13 11.130 0.542 4.434 1.00 0.00 C ATOM 0 H LEU A 13 13.459 -2.282 2.712 1.00 0.00 H new ATOM 0 HA LEU A 13 13.433 -2.799 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.818 -0.624 6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.325 -0.500 5.326 1.00 0.00 H new ATOM 0 HG LEU A 13 13.074 1.334 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.644 1.262 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.196 0.537 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.819 -0.508 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.788 1.363 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.684 -0.391 4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.830 0.728 5.465 1.00 0.00 H new ATOM 215 N LYS A 14 10.810 -2.537 5.473 1.00 0.00 N ATOM 216 CA LYS A 14 9.382 -2.836 5.385 1.00 0.00 C ATOM 217 C LYS A 14 8.603 -1.912 6.310 1.00 0.00 C ATOM 218 O LYS A 14 9.201 -1.212 7.132 1.00 0.00 O ATOM 219 CB LYS A 14 9.097 -4.302 5.733 1.00 0.00 C ATOM 220 CG LYS A 14 9.798 -5.259 4.765 1.00 0.00 C ATOM 221 CD LYS A 14 9.247 -6.670 4.928 1.00 0.00 C ATOM 222 CE LYS A 14 10.055 -7.605 4.035 1.00 0.00 C ATOM 223 NZ LYS A 14 9.309 -8.839 3.741 1.00 0.00 N ATOM 0 H LYS A 14 11.110 -2.329 6.425 1.00 0.00 H new ATOM 0 HA LYS A 14 9.061 -2.670 4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.429 -4.506 6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.022 -4.480 5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.653 -4.921 3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.872 -5.256 4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.315 -6.986 5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.192 -6.700 4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.304 -7.097 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.997 -7.854 4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.963 -9.647 3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.582 -8.987 4.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.854 -8.756 2.810 1.00 0.00 H new ATOM 237 N GLY A 15 7.286 -1.859 6.152 1.00 0.00 N ATOM 238 CA GLY A 15 6.404 -1.038 6.960 1.00 0.00 C ATOM 239 C GLY A 15 4.976 -1.555 6.831 1.00 0.00 C ATOM 240 O GLY A 15 4.658 -2.288 5.891 1.00 0.00 O ATOM 0 H GLY A 15 6.794 -2.400 5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.719 -1.063 8.003 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.457 0.001 6.636 1.00 0.00 H new ATOM 244 N GLU A 16 4.092 -1.177 7.752 1.00 0.00 N ATOM 245 CA GLU A 16 2.698 -1.610 7.734 1.00 0.00 C ATOM 246 C GLU A 16 1.835 -0.506 8.337 1.00 0.00 C ATOM 247 O GLU A 16 2.015 -0.153 9.507 1.00 0.00 O ATOM 248 CB GLU A 16 2.531 -2.946 8.481 1.00 0.00 C ATOM 249 CG GLU A 16 1.114 -3.523 8.319 1.00 0.00 C ATOM 250 CD GLU A 16 0.838 -4.669 9.295 1.00 0.00 C ATOM 251 OE1 GLU A 16 0.709 -4.412 10.516 1.00 0.00 O ATOM 252 OE2 GLU A 16 0.664 -5.834 8.865 1.00 0.00 O ATOM 0 H GLU A 16 4.323 -0.562 8.532 1.00 0.00 H new ATOM 0 HA GLU A 16 2.375 -1.785 6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.260 -3.664 8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.744 -2.799 9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.382 -2.731 8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.984 -3.880 7.297 1.00 0.00 H new ATOM 259 N THR A 17 0.892 0.031 7.569 1.00 0.00 N ATOM 260 CA THR A 17 -0.012 1.103 7.985 1.00 0.00 C ATOM 261 C THR A 17 -1.427 0.814 7.460 1.00 0.00 C ATOM 262 O THR A 17 -1.596 -0.009 6.552 1.00 0.00 O ATOM 263 CB THR A 17 0.566 2.449 7.488 1.00 0.00 C ATOM 264 OG1 THR A 17 1.078 2.341 6.168 1.00 0.00 O ATOM 265 CG2 THR A 17 1.722 2.933 8.369 1.00 0.00 C ATOM 0 H THR A 17 0.729 -0.276 6.610 1.00 0.00 H new ATOM 0 HA THR A 17 -0.093 1.161 9.070 1.00 0.00 H new ATOM 0 HB THR A 17 -0.264 3.154 7.525 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.026 2.591 6.163 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.099 3.881 7.986 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.368 3.070 9.391 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.522 2.193 8.358 1.00 0.00 H new ATOM 273 N THR A 18 -2.463 1.475 7.991 1.00 0.00 N ATOM 274 CA THR A 18 -3.837 1.255 7.541 1.00 0.00 C ATOM 275 C THR A 18 -4.512 2.600 7.253 1.00 0.00 C ATOM 276 O THR A 18 -4.262 3.592 7.942 1.00 0.00 O ATOM 277 CB THR A 18 -4.574 0.451 8.631 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.418 1.033 9.911 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.065 -0.989 8.740 1.00 0.00 C ATOM 0 H THR A 18 -2.372 2.168 8.734 1.00 0.00 H new ATOM 0 HA THR A 18 -3.861 0.685 6.612 1.00 0.00 H new ATOM 0 HB THR A 18 -5.620 0.460 8.325 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.900 0.497 10.575 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.616 -1.512 9.522 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.212 -1.500 7.788 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.004 -0.982 8.988 1.00 0.00 H new ATOM 287 N THR A 19 -5.226 2.708 6.131 1.00 0.00 N ATOM 288 CA THR A 19 -5.965 3.892 5.705 1.00 0.00 C ATOM 289 C THR A 19 -7.170 3.430 4.874 1.00 0.00 C ATOM 290 O THR A 19 -7.025 2.503 4.070 1.00 0.00 O ATOM 291 CB THR A 19 -5.057 4.904 4.980 1.00 0.00 C ATOM 292 OG1 THR A 19 -3.923 5.217 5.767 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.745 6.246 4.735 1.00 0.00 C ATOM 0 H THR A 19 -5.307 1.938 5.467 1.00 0.00 H new ATOM 0 HA THR A 19 -6.338 4.440 6.570 1.00 0.00 H new ATOM 0 HB THR A 19 -4.798 4.422 4.037 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.155 4.693 5.457 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.058 6.919 4.222 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.631 6.093 4.119 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.037 6.685 5.689 1.00 0.00 H new ATOM 301 N GLU A 20 -8.347 4.025 5.042 1.00 0.00 N ATOM 302 CA GLU A 20 -9.539 3.675 4.270 1.00 0.00 C ATOM 303 C GLU A 20 -9.728 4.646 3.104 1.00 0.00 C ATOM 304 O GLU A 20 -9.202 5.767 3.131 1.00 0.00 O ATOM 305 CB GLU A 20 -10.755 3.603 5.196 1.00 0.00 C ATOM 306 CG GLU A 20 -11.181 4.939 5.796 1.00 0.00 C ATOM 307 CD GLU A 20 -11.941 4.701 7.092 1.00 0.00 C ATOM 308 OE1 GLU A 20 -11.297 4.422 8.132 1.00 0.00 O ATOM 309 OE2 GLU A 20 -13.183 4.882 7.095 1.00 0.00 O ATOM 0 H GLU A 20 -8.504 4.769 5.722 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.416 2.687 3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.594 3.187 4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.536 2.909 6.008 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.305 5.559 5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.809 5.482 5.090 1.00 0.00 H new ATOM 316 N ALA A 21 -10.433 4.214 2.056 1.00 0.00 N ATOM 317 CA ALA A 21 -10.708 5.018 0.872 1.00 0.00 C ATOM 318 C ALA A 21 -11.900 4.461 0.101 1.00 0.00 C ATOM 319 O ALA A 21 -12.291 3.307 0.298 1.00 0.00 O ATOM 320 CB ALA A 21 -9.492 5.007 -0.064 1.00 0.00 C ATOM 0 H ALA A 21 -10.834 3.277 2.010 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.927 6.033 1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.706 5.610 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.628 5.420 0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.276 3.983 -0.369 1.00 0.00 H new ATOM 326 N VAL A 22 -12.426 5.262 -0.832 1.00 0.00 N ATOM 327 CA VAL A 22 -13.550 4.858 -1.663 1.00 0.00 C ATOM 328 C VAL A 22 -13.127 3.664 -2.521 1.00 0.00 C ATOM 329 O VAL A 22 -13.898 2.712 -2.641 1.00 0.00 O ATOM 330 CB VAL A 22 -14.085 6.039 -2.502 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.069 6.576 -3.524 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.381 5.655 -3.230 1.00 0.00 C ATOM 0 H VAL A 22 -12.082 6.202 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.382 4.548 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.281 6.838 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.512 7.404 -4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.178 6.924 -3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.796 5.781 -4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.736 6.505 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.189 4.813 -3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.139 5.374 -2.499 1.00 0.00 H new ATOM 342 N ASP A 23 -11.899 3.660 -3.052 1.00 0.00 N ATOM 343 CA ASP A 23 -11.384 2.592 -3.894 1.00 0.00 C ATOM 344 C ASP A 23 -9.872 2.480 -3.776 1.00 0.00 C ATOM 345 O ASP A 23 -9.202 3.395 -3.284 1.00 0.00 O ATOM 346 CB ASP A 23 -11.810 2.819 -5.360 1.00 0.00 C ATOM 347 CG ASP A 23 -12.951 1.883 -5.744 1.00 0.00 C ATOM 348 OD1 ASP A 23 -12.854 0.672 -5.440 1.00 0.00 O ATOM 349 OD2 ASP A 23 -13.930 2.327 -6.381 1.00 0.00 O ATOM 0 H ASP A 23 -11.230 4.415 -2.902 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.809 1.649 -3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.122 3.855 -5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.959 2.652 -6.021 1.00 0.00 H new ATOM 354 N ALA A 24 -9.360 1.355 -4.281 1.00 0.00 N ATOM 355 CA ALA A 24 -7.959 0.972 -4.301 1.00 0.00 C ATOM 356 C ALA A 24 -7.072 2.069 -4.892 1.00 0.00 C ATOM 357 O ALA A 24 -6.074 2.427 -4.271 1.00 0.00 O ATOM 358 CB ALA A 24 -7.825 -0.355 -5.061 1.00 0.00 C ATOM 0 H ALA A 24 -9.956 0.648 -4.712 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.609 0.835 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.778 -0.656 -5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.412 -1.123 -4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.190 -0.229 -6.080 1.00 0.00 H new ATOM 364 N ALA A 25 -7.455 2.655 -6.030 1.00 0.00 N ATOM 365 CA ALA A 25 -6.685 3.707 -6.683 1.00 0.00 C ATOM 366 C ALA A 25 -6.389 4.874 -5.736 1.00 0.00 C ATOM 367 O ALA A 25 -5.294 5.431 -5.766 1.00 0.00 O ATOM 368 CB ALA A 25 -7.458 4.206 -7.902 1.00 0.00 C ATOM 0 H ALA A 25 -8.313 2.409 -6.523 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.726 3.288 -6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.889 4.993 -8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.615 3.381 -8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.423 4.601 -7.584 1.00 0.00 H new ATOM 374 N THR A 26 -7.354 5.272 -4.905 1.00 0.00 N ATOM 375 CA THR A 26 -7.152 6.364 -3.967 1.00 0.00 C ATOM 376 C THR A 26 -6.191 5.908 -2.862 1.00 0.00 C ATOM 377 O THR A 26 -5.300 6.674 -2.499 1.00 0.00 O ATOM 378 CB THR A 26 -8.515 6.867 -3.466 1.00 0.00 C ATOM 379 OG1 THR A 26 -9.285 7.268 -4.592 1.00 0.00 O ATOM 380 CG2 THR A 26 -8.378 8.058 -2.515 1.00 0.00 C ATOM 0 H THR A 26 -8.282 4.850 -4.867 1.00 0.00 H new ATOM 0 HA THR A 26 -6.677 7.221 -4.444 1.00 0.00 H new ATOM 0 HB THR A 26 -8.996 6.057 -2.917 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.160 7.591 -4.292 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.367 8.378 -2.188 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.786 7.765 -1.648 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.883 8.881 -3.031 1.00 0.00 H new ATOM 388 N ALA A 27 -6.336 4.683 -2.336 1.00 0.00 N ATOM 389 CA ALA A 27 -5.449 4.171 -1.293 1.00 0.00 C ATOM 390 C ALA A 27 -4.001 4.156 -1.808 1.00 0.00 C ATOM 391 O ALA A 27 -3.115 4.703 -1.155 1.00 0.00 O ATOM 392 CB ALA A 27 -5.909 2.781 -0.835 1.00 0.00 C ATOM 0 H ALA A 27 -7.065 4.029 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.490 4.827 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.238 2.413 -0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.922 2.845 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.893 2.095 -1.682 1.00 0.00 H new ATOM 398 N GLU A 28 -3.789 3.587 -2.996 1.00 0.00 N ATOM 399 CA GLU A 28 -2.511 3.456 -3.697 1.00 0.00 C ATOM 400 C GLU A 28 -1.810 4.814 -3.814 1.00 0.00 C ATOM 401 O GLU A 28 -0.610 4.946 -3.573 1.00 0.00 O ATOM 402 CB GLU A 28 -2.844 2.878 -5.089 1.00 0.00 C ATOM 403 CG GLU A 28 -1.694 2.774 -6.100 1.00 0.00 C ATOM 404 CD GLU A 28 -2.245 2.577 -7.515 1.00 0.00 C ATOM 405 OE1 GLU A 28 -2.588 1.430 -7.887 1.00 0.00 O ATOM 406 OE2 GLU A 28 -2.413 3.589 -8.242 1.00 0.00 O ATOM 0 H GLU A 28 -4.557 3.178 -3.529 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.826 2.804 -3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.262 1.881 -4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.628 3.493 -5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.085 3.677 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.044 1.940 -5.836 1.00 0.00 H new ATOM 413 N LYS A 29 -2.572 5.834 -4.197 1.00 0.00 N ATOM 414 CA LYS A 29 -2.120 7.205 -4.392 1.00 0.00 C ATOM 415 C LYS A 29 -1.759 7.890 -3.079 1.00 0.00 C ATOM 416 O LYS A 29 -0.700 8.511 -2.989 1.00 0.00 O ATOM 417 CB LYS A 29 -3.260 7.902 -5.126 1.00 0.00 C ATOM 418 CG LYS A 29 -2.901 9.239 -5.771 1.00 0.00 C ATOM 419 CD LYS A 29 -4.109 9.753 -6.565 1.00 0.00 C ATOM 420 CE LYS A 29 -4.456 8.824 -7.740 1.00 0.00 C ATOM 421 NZ LYS A 29 -5.718 9.200 -8.396 1.00 0.00 N ATOM 0 H LYS A 29 -3.567 5.720 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.197 7.244 -4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.634 7.233 -5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.077 8.064 -4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.619 9.962 -5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.041 9.120 -6.430 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.970 9.838 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.897 10.753 -6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.648 8.849 -8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.528 7.798 -7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.910 8.545 -9.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.495 9.151 -7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.642 10.170 -8.764 1.00 0.00 H new ATOM 435 N VAL A 30 -2.625 7.793 -2.071 1.00 0.00 N ATOM 436 CA VAL A 30 -2.398 8.393 -0.763 1.00 0.00 C ATOM 437 C VAL A 30 -1.143 7.752 -0.161 1.00 0.00 C ATOM 438 O VAL A 30 -0.195 8.454 0.191 1.00 0.00 O ATOM 439 CB VAL A 30 -3.671 8.230 0.100 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.445 8.580 1.575 1.00 0.00 C ATOM 441 CG2 VAL A 30 -4.802 9.138 -0.417 1.00 0.00 C ATOM 0 H VAL A 30 -3.510 7.291 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.215 9.466 -0.824 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.940 7.177 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.375 8.446 2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.678 7.926 1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.121 9.617 1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.687 9.007 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.481 10.179 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.040 8.872 -1.447 1.00 0.00 H new ATOM 451 N PHE A 31 -1.087 6.419 -0.095 1.00 0.00 N ATOM 452 CA PHE A 31 0.054 5.708 0.465 1.00 0.00 C ATOM 453 C PHE A 31 1.348 5.916 -0.318 1.00 0.00 C ATOM 454 O PHE A 31 2.414 5.671 0.245 1.00 0.00 O ATOM 455 CB PHE A 31 -0.261 4.218 0.605 1.00 0.00 C ATOM 456 CG PHE A 31 -1.081 3.873 1.830 1.00 0.00 C ATOM 457 CD1 PHE A 31 -0.545 4.115 3.109 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.334 3.244 1.704 1.00 0.00 C ATOM 459 CE1 PHE A 31 -1.234 3.684 4.251 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.021 2.807 2.849 1.00 0.00 C ATOM 461 CZ PHE A 31 -2.448 2.999 4.118 1.00 0.00 C ATOM 0 H PHE A 31 -1.832 5.808 -0.429 1.00 0.00 H new ATOM 0 HA PHE A 31 0.228 6.136 1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.798 3.886 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.675 3.661 0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.397 4.633 3.210 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.768 3.097 0.726 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.829 3.880 5.233 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.984 2.326 2.755 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.947 2.616 4.996 1.00 0.00 H new ATOM 471 N LYS A 32 1.306 6.374 -1.577 1.00 0.00 N ATOM 472 CA LYS A 32 2.517 6.617 -2.364 1.00 0.00 C ATOM 473 C LYS A 32 3.413 7.624 -1.641 1.00 0.00 C ATOM 474 O LYS A 32 4.633 7.533 -1.758 1.00 0.00 O ATOM 475 CB LYS A 32 2.135 7.121 -3.762 1.00 0.00 C ATOM 476 CG LYS A 32 3.297 7.076 -4.763 1.00 0.00 C ATOM 477 CD LYS A 32 2.802 7.528 -6.142 1.00 0.00 C ATOM 478 CE LYS A 32 3.938 7.510 -7.169 1.00 0.00 C ATOM 479 NZ LYS A 32 3.493 8.051 -8.468 1.00 0.00 N ATOM 0 H LYS A 32 0.439 6.584 -2.072 1.00 0.00 H new ATOM 0 HA LYS A 32 3.073 5.686 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.311 6.519 -4.145 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.771 8.146 -3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.107 7.723 -4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.700 6.065 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.996 6.874 -6.475 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.387 8.534 -6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.778 8.097 -6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.296 6.489 -7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.283 8.026 -9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.707 7.475 -8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.174 9.033 -8.344 1.00 0.00 H new ATOM 493 N GLN A 33 2.802 8.559 -0.897 1.00 0.00 N ATOM 494 CA GLN A 33 3.500 9.579 -0.131 1.00 0.00 C ATOM 495 C GLN A 33 4.447 8.869 0.838 1.00 0.00 C ATOM 496 O GLN A 33 5.661 9.020 0.754 1.00 0.00 O ATOM 497 CB GLN A 33 2.471 10.435 0.648 1.00 0.00 C ATOM 498 CG GLN A 33 1.502 11.207 -0.259 1.00 0.00 C ATOM 499 CD GLN A 33 0.535 12.139 0.476 1.00 0.00 C ATOM 500 OE1 GLN A 33 0.365 12.113 1.692 1.00 0.00 O ATOM 501 NE2 GLN A 33 -0.144 13.001 -0.262 1.00 0.00 N ATOM 0 H GLN A 33 1.787 8.620 -0.816 1.00 0.00 H new ATOM 0 HA GLN A 33 4.066 10.239 -0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.897 9.786 1.309 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.005 11.143 1.281 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.083 11.796 -0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.922 10.490 -0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.006 13.027 -1.272 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.805 13.640 0.179 1.00 0.00 H new ATOM 510 N TYR A 34 3.876 8.022 1.693 1.00 0.00 N ATOM 511 CA TYR A 34 4.570 7.244 2.703 1.00 0.00 C ATOM 512 C TYR A 34 5.547 6.238 2.098 1.00 0.00 C ATOM 513 O TYR A 34 6.626 6.066 2.649 1.00 0.00 O ATOM 514 CB TYR A 34 3.507 6.576 3.588 1.00 0.00 C ATOM 515 CG TYR A 34 3.882 5.269 4.256 1.00 0.00 C ATOM 516 CD1 TYR A 34 4.715 5.258 5.392 1.00 0.00 C ATOM 517 CD2 TYR A 34 3.357 4.062 3.757 1.00 0.00 C ATOM 518 CE1 TYR A 34 5.003 4.047 6.044 1.00 0.00 C ATOM 519 CE2 TYR A 34 3.628 2.854 4.415 1.00 0.00 C ATOM 520 CZ TYR A 34 4.444 2.843 5.564 1.00 0.00 C ATOM 521 OH TYR A 34 4.675 1.676 6.214 1.00 0.00 O ATOM 0 H TYR A 34 2.870 7.856 1.696 1.00 0.00 H new ATOM 0 HA TYR A 34 5.194 7.900 3.310 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.223 7.284 4.367 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.621 6.401 2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.133 6.182 5.763 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.745 4.066 2.867 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.650 4.037 6.909 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.211 1.931 4.041 1.00 0.00 H new ATOM 0 HH TYR A 34 4.214 0.946 5.750 1.00 0.00 H new ATOM 531 N ALA A 35 5.207 5.597 0.976 1.00 0.00 N ATOM 532 CA ALA A 35 6.087 4.615 0.358 1.00 0.00 C ATOM 533 C ALA A 35 7.422 5.240 -0.047 1.00 0.00 C ATOM 534 O ALA A 35 8.472 4.777 0.413 1.00 0.00 O ATOM 535 CB ALA A 35 5.381 3.979 -0.842 1.00 0.00 C ATOM 0 H ALA A 35 4.327 5.744 0.481 1.00 0.00 H new ATOM 0 HA ALA A 35 6.311 3.836 1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.040 3.244 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.467 3.488 -0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.132 4.752 -1.569 1.00 0.00 H new ATOM 541 N ASN A 36 7.410 6.316 -0.843 1.00 0.00 N ATOM 542 CA ASN A 36 8.668 6.937 -1.258 1.00 0.00 C ATOM 543 C ASN A 36 9.357 7.615 -0.076 1.00 0.00 C ATOM 544 O ASN A 36 10.583 7.605 0.027 1.00 0.00 O ATOM 545 CB ASN A 36 8.482 7.939 -2.399 1.00 0.00 C ATOM 546 CG ASN A 36 9.853 8.407 -2.885 1.00 0.00 C ATOM 547 OD1 ASN A 36 10.790 7.621 -3.016 1.00 0.00 O ATOM 548 ND2 ASN A 36 10.015 9.686 -3.168 1.00 0.00 N ATOM 0 H ASN A 36 6.567 6.763 -1.203 1.00 0.00 H new ATOM 0 HA ASN A 36 9.301 6.132 -1.630 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.931 7.477 -3.218 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.893 8.791 -2.059 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.919 10.025 -3.496 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.236 10.335 -3.058 1.00 0.00 H new ATOM 555 N ASP A 37 8.578 8.192 0.838 1.00 0.00 N ATOM 556 CA ASP A 37 9.067 8.863 2.043 1.00 0.00 C ATOM 557 C ASP A 37 9.698 7.868 3.031 1.00 0.00 C ATOM 558 O ASP A 37 10.289 8.276 4.034 1.00 0.00 O ATOM 559 CB ASP A 37 7.925 9.655 2.667 1.00 0.00 C ATOM 560 CG ASP A 37 8.347 10.564 3.811 1.00 0.00 C ATOM 561 OD1 ASP A 37 9.226 11.432 3.611 1.00 0.00 O ATOM 562 OD2 ASP A 37 7.654 10.542 4.854 1.00 0.00 O ATOM 0 H ASP A 37 7.561 8.206 0.759 1.00 0.00 H new ATOM 0 HA ASP A 37 9.864 9.556 1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.452 10.260 1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.171 8.957 3.032 1.00 0.00 H new ATOM 567 N ASN A 38 9.547 6.563 2.776 1.00 0.00 N ATOM 568 CA ASN A 38 10.093 5.476 3.576 1.00 0.00 C ATOM 569 C ASN A 38 11.136 4.672 2.782 1.00 0.00 C ATOM 570 O ASN A 38 11.740 3.747 3.324 1.00 0.00 O ATOM 571 CB ASN A 38 8.972 4.608 4.167 1.00 0.00 C ATOM 572 CG ASN A 38 9.452 3.780 5.353 1.00 0.00 C ATOM 573 OD1 ASN A 38 10.389 4.149 6.064 1.00 0.00 O ATOM 574 ND2 ASN A 38 8.809 2.656 5.623 1.00 0.00 N ATOM 0 H ASN A 38 9.017 6.228 1.971 1.00 0.00 H new ATOM 0 HA ASN A 38 10.626 5.902 4.426 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.147 5.247 4.482 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.584 3.944 3.395 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.088 2.089 6.424 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.035 2.357 5.031 1.00 0.00 H new ATOM 581 N GLY A 39 11.390 5.014 1.511 1.00 0.00 N ATOM 582 CA GLY A 39 12.377 4.356 0.661 1.00 0.00 C ATOM 583 C GLY A 39 11.898 3.118 -0.092 1.00 0.00 C ATOM 584 O GLY A 39 12.728 2.254 -0.391 1.00 0.00 O ATOM 0 H GLY A 39 10.900 5.775 1.040 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.740 5.081 -0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.228 4.073 1.280 1.00 0.00 H new ATOM 588 N VAL A 40 10.604 2.992 -0.405 1.00 0.00 N ATOM 589 CA VAL A 40 10.083 1.832 -1.126 1.00 0.00 C ATOM 590 C VAL A 40 9.300 2.273 -2.361 1.00 0.00 C ATOM 591 O VAL A 40 8.577 3.276 -2.348 1.00 0.00 O ATOM 592 CB VAL A 40 9.246 0.933 -0.193 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.763 -0.340 -0.910 1.00 0.00 C ATOM 594 CG2 VAL A 40 10.040 0.532 1.060 1.00 0.00 C ATOM 0 H VAL A 40 9.896 3.686 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 40 10.923 1.231 -1.474 1.00 0.00 H new ATOM 0 HB VAL A 40 8.378 1.521 0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.177 -0.947 -0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.145 -0.064 -1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.624 -0.912 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.421 -0.101 1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.935 -0.015 0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.328 1.428 1.610 1.00 0.00 H new ATOM 604 N ASP A 41 9.446 1.503 -3.437 1.00 0.00 N ATOM 605 CA ASP A 41 8.784 1.709 -4.715 1.00 0.00 C ATOM 606 C ASP A 41 8.752 0.348 -5.392 1.00 0.00 C ATOM 607 O ASP A 41 9.757 -0.091 -5.941 1.00 0.00 O ATOM 608 CB ASP A 41 9.563 2.731 -5.545 1.00 0.00 C ATOM 609 CG ASP A 41 8.729 3.319 -6.677 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.567 2.914 -6.903 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.214 4.333 -7.233 1.00 0.00 O ATOM 0 H ASP A 41 10.055 0.685 -3.438 1.00 0.00 H new ATOM 0 HA ASP A 41 7.775 2.104 -4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.907 3.536 -4.895 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.451 2.255 -5.961 1.00 0.00 H new ATOM 616 N GLY A 42 7.625 -0.353 -5.301 1.00 0.00 N ATOM 617 CA GLY A 42 7.465 -1.680 -5.868 1.00 0.00 C ATOM 618 C GLY A 42 6.122 -1.844 -6.548 1.00 0.00 C ATOM 619 O GLY A 42 5.392 -0.877 -6.742 1.00 0.00 O ATOM 0 H GLY A 42 6.791 -0.008 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.262 -1.866 -6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.567 -2.426 -5.080 1.00 0.00 H new ATOM 623 N GLU A 43 5.806 -3.074 -6.933 1.00 0.00 N ATOM 624 CA GLU A 43 4.567 -3.405 -7.610 1.00 0.00 C ATOM 625 C GLU A 43 3.396 -3.396 -6.621 1.00 0.00 C ATOM 626 O GLU A 43 3.331 -4.231 -5.713 1.00 0.00 O ATOM 627 CB GLU A 43 4.745 -4.745 -8.327 1.00 0.00 C ATOM 628 CG GLU A 43 3.653 -4.931 -9.382 1.00 0.00 C ATOM 629 CD GLU A 43 4.014 -6.107 -10.278 1.00 0.00 C ATOM 630 OE1 GLU A 43 4.880 -5.945 -11.170 1.00 0.00 O ATOM 631 OE2 GLU A 43 3.444 -7.208 -10.101 1.00 0.00 O ATOM 0 H GLU A 43 6.414 -3.878 -6.780 1.00 0.00 H new ATOM 0 HA GLU A 43 4.325 -2.655 -8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.727 -4.785 -8.799 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.705 -5.560 -7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.692 -5.108 -8.900 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.548 -4.024 -9.977 1.00 0.00 H new ATOM 638 N TRP A 44 2.503 -2.418 -6.784 1.00 0.00 N ATOM 639 CA TRP A 44 1.311 -2.196 -5.978 1.00 0.00 C ATOM 640 C TRP A 44 0.206 -3.169 -6.412 1.00 0.00 C ATOM 641 O TRP A 44 -0.496 -2.880 -7.387 1.00 0.00 O ATOM 642 CB TRP A 44 0.851 -0.733 -6.158 1.00 0.00 C ATOM 643 CG TRP A 44 1.797 0.326 -5.680 1.00 0.00 C ATOM 644 CD1 TRP A 44 2.938 0.708 -6.294 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.698 1.169 -4.497 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.583 1.665 -5.542 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.881 1.957 -4.398 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.724 1.348 -3.495 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.109 2.840 -3.335 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.943 2.225 -2.418 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.139 2.957 -2.326 1.00 0.00 C ATOM 0 H TRP A 44 2.602 -1.723 -7.524 1.00 0.00 H new ATOM 0 HA TRP A 44 1.531 -2.374 -4.925 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.656 -0.564 -7.217 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -0.097 -0.606 -5.635 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.293 0.320 -7.237 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.468 2.101 -5.801 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.206 0.803 -3.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.017 3.422 -3.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.186 2.337 -1.656 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.312 3.608 -1.482 1.00 0.00 H new ATOM 662 N THR A 45 -0.004 -4.262 -5.676 1.00 0.00 N ATOM 663 CA THR A 45 -1.016 -5.278 -5.975 1.00 0.00 C ATOM 664 C THR A 45 -1.921 -5.475 -4.749 1.00 0.00 C ATOM 665 O THR A 45 -1.442 -5.592 -3.614 1.00 0.00 O ATOM 666 CB THR A 45 -0.299 -6.552 -6.443 1.00 0.00 C ATOM 667 OG1 THR A 45 0.385 -6.291 -7.651 1.00 0.00 O ATOM 668 CG2 THR A 45 -1.283 -7.684 -6.724 1.00 0.00 C ATOM 0 H THR A 45 0.537 -4.470 -4.837 1.00 0.00 H new ATOM 0 HA THR A 45 -1.677 -4.971 -6.785 1.00 0.00 H new ATOM 0 HB THR A 45 0.382 -6.848 -5.646 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.844 -7.104 -7.949 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.736 -8.568 -7.053 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.838 -7.918 -5.815 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.978 -7.376 -7.505 1.00 0.00 H new ATOM 676 N TYR A 46 -3.239 -5.562 -4.967 1.00 0.00 N ATOM 677 CA TYR A 46 -4.252 -5.704 -3.923 1.00 0.00 C ATOM 678 C TYR A 46 -5.102 -6.974 -3.997 1.00 0.00 C ATOM 679 O TYR A 46 -5.300 -7.580 -5.052 1.00 0.00 O ATOM 680 CB TYR A 46 -5.104 -4.430 -3.835 1.00 0.00 C ATOM 681 CG TYR A 46 -6.048 -4.138 -4.982 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.587 -3.460 -6.128 1.00 0.00 C ATOM 683 CD2 TYR A 46 -7.410 -4.467 -4.862 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.482 -3.112 -7.155 1.00 0.00 C ATOM 685 CE2 TYR A 46 -8.311 -4.114 -5.881 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.851 -3.437 -7.035 1.00 0.00 C ATOM 687 OH TYR A 46 -8.740 -3.065 -7.998 1.00 0.00 O ATOM 0 H TYR A 46 -3.638 -5.534 -5.905 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.701 -5.832 -2.991 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.694 -4.483 -2.920 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.429 -3.581 -3.731 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.541 -3.206 -6.218 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.764 -4.991 -3.986 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.123 -2.597 -8.034 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.358 -4.360 -5.783 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.637 -3.373 -7.752 1.00 0.00 H new ATOM 697 N ASP A 47 -5.546 -7.417 -2.823 1.00 0.00 N ATOM 698 CA ASP A 47 -6.387 -8.583 -2.587 1.00 0.00 C ATOM 699 C ASP A 47 -7.623 -8.053 -1.868 1.00 0.00 C ATOM 700 O ASP A 47 -7.541 -7.666 -0.700 1.00 0.00 O ATOM 701 CB ASP A 47 -5.621 -9.600 -1.742 1.00 0.00 C ATOM 702 CG ASP A 47 -6.455 -10.845 -1.455 1.00 0.00 C ATOM 703 OD1 ASP A 47 -7.294 -10.808 -0.527 1.00 0.00 O ATOM 704 OD2 ASP A 47 -6.220 -11.859 -2.143 1.00 0.00 O ATOM 0 H ASP A 47 -5.311 -6.937 -1.954 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.672 -9.096 -3.505 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.706 -9.887 -2.261 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.322 -9.138 -0.801 1.00 0.00 H new ATOM 709 N ASP A 48 -8.755 -7.904 -2.561 1.00 0.00 N ATOM 710 CA ASP A 48 -9.984 -7.380 -1.945 1.00 0.00 C ATOM 711 C ASP A 48 -10.562 -8.316 -0.882 1.00 0.00 C ATOM 712 O ASP A 48 -11.223 -7.844 0.046 1.00 0.00 O ATOM 713 CB ASP A 48 -11.076 -7.094 -2.987 1.00 0.00 C ATOM 714 CG ASP A 48 -11.838 -8.366 -3.356 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.310 -9.130 -4.191 1.00 0.00 O ATOM 716 OD2 ASP A 48 -12.912 -8.645 -2.770 1.00 0.00 O ATOM 0 H ASP A 48 -8.849 -8.138 -3.549 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.682 -6.449 -1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.771 -6.352 -2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.625 -6.665 -3.882 1.00 0.00 H new ATOM 721 N ALA A 49 -10.323 -9.626 -0.987 1.00 0.00 N ATOM 722 CA ALA A 49 -10.846 -10.589 -0.030 1.00 0.00 C ATOM 723 C ALA A 49 -10.250 -10.371 1.359 1.00 0.00 C ATOM 724 O ALA A 49 -10.952 -10.517 2.363 1.00 0.00 O ATOM 725 CB ALA A 49 -10.573 -12.010 -0.525 1.00 0.00 C ATOM 0 H ALA A 49 -9.765 -10.041 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.923 -10.445 0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.966 -12.728 0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.059 -12.159 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.498 -12.157 -0.634 1.00 0.00 H new ATOM 731 N THR A 50 -8.995 -9.947 1.425 1.00 0.00 N ATOM 732 CA THR A 50 -8.232 -9.688 2.637 1.00 0.00 C ATOM 733 C THR A 50 -8.027 -8.178 2.850 1.00 0.00 C ATOM 734 O THR A 50 -7.546 -7.777 3.909 1.00 0.00 O ATOM 735 CB THR A 50 -6.891 -10.452 2.534 1.00 0.00 C ATOM 736 OG1 THR A 50 -7.072 -11.719 1.920 1.00 0.00 O ATOM 737 CG2 THR A 50 -6.222 -10.672 3.894 1.00 0.00 C ATOM 0 H THR A 50 -8.450 -9.764 0.582 1.00 0.00 H new ATOM 0 HA THR A 50 -8.778 -10.043 3.511 1.00 0.00 H new ATOM 0 HB THR A 50 -6.242 -9.821 1.927 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.086 -11.612 0.946 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.286 -11.213 3.756 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.019 -9.708 4.360 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.885 -11.252 4.536 1.00 0.00 H new ATOM 745 N LYS A 51 -8.466 -7.317 1.923 1.00 0.00 N ATOM 746 CA LYS A 51 -8.320 -5.856 1.968 1.00 0.00 C ATOM 747 C LYS A 51 -6.856 -5.430 2.174 1.00 0.00 C ATOM 748 O LYS A 51 -6.570 -4.398 2.781 1.00 0.00 O ATOM 749 CB LYS A 51 -9.338 -5.202 2.917 1.00 0.00 C ATOM 750 CG LYS A 51 -10.725 -5.063 2.268 1.00 0.00 C ATOM 751 CD LYS A 51 -11.661 -4.260 3.181 1.00 0.00 C ATOM 752 CE LYS A 51 -12.127 -5.078 4.385 1.00 0.00 C ATOM 753 NZ LYS A 51 -13.352 -5.836 4.084 1.00 0.00 N ATOM 0 H LYS A 51 -8.954 -7.633 1.085 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.579 -5.458 0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.421 -5.798 3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.976 -4.217 3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.634 -4.567 1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.147 -6.050 2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.147 -3.364 3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.528 -3.929 2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.337 -5.766 4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.308 -4.413 5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.639 -6.379 4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.112 -5.177 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.171 -6.488 3.295 1.00 0.00 H new ATOM 767 N THR A 52 -5.909 -6.232 1.703 1.00 0.00 N ATOM 768 CA THR A 52 -4.482 -5.972 1.801 1.00 0.00 C ATOM 769 C THR A 52 -4.024 -5.358 0.477 1.00 0.00 C ATOM 770 O THR A 52 -4.624 -5.596 -0.580 1.00 0.00 O ATOM 771 CB THR A 52 -3.748 -7.285 2.131 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.355 -8.364 1.456 1.00 0.00 O ATOM 773 CG2 THR A 52 -3.823 -7.599 3.627 1.00 0.00 C ATOM 0 H THR A 52 -6.122 -7.109 1.227 1.00 0.00 H new ATOM 0 HA THR A 52 -4.253 -5.270 2.602 1.00 0.00 H new ATOM 0 HB THR A 52 -2.710 -7.157 1.822 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.880 -9.194 1.671 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.296 -8.531 3.830 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.360 -6.790 4.192 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.866 -7.699 3.926 1.00 0.00 H new ATOM 781 N PHE A 53 -2.957 -4.568 0.529 1.00 0.00 N ATOM 782 CA PHE A 53 -2.369 -3.895 -0.612 1.00 0.00 C ATOM 783 C PHE A 53 -0.860 -3.945 -0.376 1.00 0.00 C ATOM 784 O PHE A 53 -0.300 -3.192 0.427 1.00 0.00 O ATOM 785 CB PHE A 53 -2.948 -2.477 -0.693 1.00 0.00 C ATOM 786 CG PHE A 53 -3.171 -1.921 -2.085 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.325 -2.242 -3.170 1.00 0.00 C ATOM 788 CD2 PHE A 53 -4.250 -1.040 -2.285 1.00 0.00 C ATOM 789 CE1 PHE A 53 -2.568 -1.690 -4.440 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.467 -0.472 -3.546 1.00 0.00 C ATOM 791 CZ PHE A 53 -3.636 -0.800 -4.628 1.00 0.00 C ATOM 0 H PHE A 53 -2.464 -4.375 1.401 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.590 -4.358 -1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.901 -2.466 -0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.278 -1.803 -0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.491 -2.912 -3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.911 -0.802 -1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.931 -1.952 -5.272 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.281 0.224 -3.687 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.818 -0.369 -5.601 1.00 0.00 H new ATOM 801 N THR A 54 -0.194 -4.854 -1.071 1.00 0.00 N ATOM 802 CA THR A 54 1.234 -5.095 -0.963 1.00 0.00 C ATOM 803 C THR A 54 2.011 -4.360 -2.056 1.00 0.00 C ATOM 804 O THR A 54 1.546 -4.260 -3.190 1.00 0.00 O ATOM 805 CB THR A 54 1.470 -6.617 -0.942 1.00 0.00 C ATOM 806 OG1 THR A 54 0.572 -7.221 -0.017 1.00 0.00 O ATOM 807 CG2 THR A 54 2.890 -6.972 -0.491 1.00 0.00 C ATOM 0 H THR A 54 -0.650 -5.465 -1.749 1.00 0.00 H new ATOM 0 HA THR A 54 1.621 -4.684 -0.031 1.00 0.00 H new ATOM 0 HB THR A 54 1.314 -6.980 -1.958 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.719 -8.190 -0.003 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.012 -8.055 -0.491 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.611 -6.526 -1.175 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.059 -6.588 0.515 1.00 0.00 H new ATOM 815 N VAL A 55 3.136 -3.750 -1.676 1.00 0.00 N ATOM 816 CA VAL A 55 4.049 -3.020 -2.550 1.00 0.00 C ATOM 817 C VAL A 55 5.335 -3.841 -2.475 1.00 0.00 C ATOM 818 O VAL A 55 6.049 -3.699 -1.486 1.00 0.00 O ATOM 819 CB VAL A 55 4.245 -1.563 -2.071 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.091 -0.765 -3.070 1.00 0.00 C ATOM 821 CG2 VAL A 55 2.906 -0.851 -1.870 1.00 0.00 C ATOM 0 H VAL A 55 3.447 -3.753 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 55 3.683 -2.918 -3.572 1.00 0.00 H new ATOM 0 HB VAL A 55 4.764 -1.613 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.213 0.256 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.070 -1.233 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.592 -0.750 -4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.084 0.170 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.359 -0.832 -2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.320 -1.383 -1.121 1.00 0.00 H new ATOM 831 N THR A 56 5.594 -4.718 -3.447 1.00 0.00 N ATOM 832 CA THR A 56 6.776 -5.583 -3.481 1.00 0.00 C ATOM 833 C THR A 56 7.809 -5.030 -4.459 1.00 0.00 C ATOM 834 O THR A 56 7.565 -5.012 -5.671 1.00 0.00 O ATOM 835 CB THR A 56 6.347 -7.019 -3.819 1.00 0.00 C ATOM 836 OG1 THR A 56 5.398 -7.448 -2.858 1.00 0.00 O ATOM 837 CG2 THR A 56 7.518 -8.002 -3.836 1.00 0.00 C ATOM 0 H THR A 56 4.976 -4.850 -4.248 1.00 0.00 H new ATOM 0 HA THR A 56 7.254 -5.604 -2.502 1.00 0.00 H new ATOM 0 HB THR A 56 5.922 -7.007 -4.823 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.115 -8.363 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.152 -8.999 -4.081 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.245 -7.688 -4.585 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.992 -8.020 -2.855 1.00 0.00 H new ATOM 845 N GLU A 57 8.921 -4.518 -3.932 1.00 0.00 N ATOM 846 CA GLU A 57 10.015 -3.949 -4.708 1.00 0.00 C ATOM 847 C GLU A 57 11.030 -5.030 -5.054 1.00 0.00 C ATOM 848 O GLU A 57 11.669 -5.606 -4.150 1.00 0.00 O ATOM 849 CB GLU A 57 10.622 -2.764 -3.936 1.00 0.00 C ATOM 850 CG GLU A 57 11.727 -2.054 -4.734 1.00 0.00 C ATOM 851 CD GLU A 57 12.139 -0.678 -4.169 1.00 0.00 C ATOM 852 OE1 GLU A 57 11.784 -0.322 -3.022 1.00 0.00 O ATOM 853 OE2 GLU A 57 12.953 0.023 -4.818 1.00 0.00 O ATOM 0 H GLU A 57 9.087 -4.488 -2.926 1.00 0.00 H new ATOM 0 HA GLU A 57 9.650 -3.560 -5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.835 -2.049 -3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.031 -3.120 -2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.606 -2.698 -4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.389 -1.924 -5.762 1.00 0.00 H new TER 860 GLU A 57